ethyl 3-[tert-butyl(dimethyl)silyl]oxane-2-carboxylate

C14H28O3Si — CID 155776650

IUPACethyl 3-[tert-butyl(dimethyl)silyl]oxane-2-carboxylate
SMILESCCOC(=O)C1OCCCC1[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H28O3Si/c1-7-16-13(15)12-11(9-8-10-17-12)18(5,6)14(2,3)4/h11-12H,7-10H2,1-6H3
InChIKeyWHTCZRFAZNFVQA-UHFFFAOYSA-N
MW272.46 g/mol
LogP3.61
Rot. Bonds3

About ethyl 3-[tert-butyl(dimethyl)silyl]oxane-2-carboxylate

ethyl 3-[tert-butyl(dimethyl)silyl]oxane-2-carboxylate (PubChem CID 155776650) has the molecular formula C14H28O3Si and a molecular weight of 272.46 g/mol. Its IUPAC name is ethyl 3-[tert-butyl(dimethyl)silyl]oxane-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-[tert-butyl(dimethyl)silyl]oxane-2-carboxylate
PubChem CID155776650
Molecular FormulaC14H28O3Si
Molecular Weight272.46 g/mol
Exact Mass272.18
IUPAC Nameethyl 3-[tert-butyl(dimethyl)silyl]oxane-2-carboxylate
SMILESCCOC(=O)C1OCCCC1[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H28O3Si/c1-7-16-13(15)12-11(9-8-10-17-12)18(5,6)14(2,3)4/h11-12H,7-10H2,1-6H3
InChIKeyWHTCZRFAZNFVQA-UHFFFAOYSA-N
XLogP3.61
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.46
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[tert-butyl(dimethyl)silyl]oxane-2-carboxylate?
The IUPAC name of ethyl 3-[tert-butyl(dimethyl)silyl]oxane-2-carboxylate (CID 155776650) is ethyl 3-[tert-butyl(dimethyl)silyl]oxane-2-carboxylate.
What is the SMILES notation for ethyl 3-[tert-butyl(dimethyl)silyl]oxane-2-carboxylate?
The canonical SMILES for ethyl 3-[tert-butyl(dimethyl)silyl]oxane-2-carboxylate is CCOC(=O)C1OCCCC1[Si](C)(C)C(C)(C)C.
What is the InChIKey of ethyl 3-[tert-butyl(dimethyl)silyl]oxane-2-carboxylate?
The InChIKey is WHTCZRFAZNFVQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O3Si/c1-7-16-13(15)12-11(9-8-10-17-12)18(5,6)14(2,3)4/h11-12H,7-10H2,1-6H3.
What are the key properties of ethyl 3-[tert-butyl(dimethyl)silyl]oxane-2-carboxylate?
ethyl 3-[tert-butyl(dimethyl)silyl]oxane-2-carboxylate has a molecular weight of 272.46 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[tert-butyl(dimethyl)silyl]oxane-2-carboxylate is sourced from PubChem (CID 155776650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).